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1224 SMILES Strings for Multidrug resistance-associated protein 1

Compound NameSMILES String
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM21278 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM23414 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
BDBM22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM29631 CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
BDBM31697 Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
BDBM30736 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(Br)c1
BDBM30835 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(CC(C)=O)ns1)-c1ccccc1
BDBM30962 Clc1cccc(OCc2nc(C#N)c(o2)N2CCCC2)c1
BDBM30921 CC(C)Cc1nnc(NC(=O)CSc2nnc[nH]2)s1
BDBM33084 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
BDBM33090 CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
BDBM33053 COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
BDBM34259 CC(C)CNC(=O)c1c(N)n(N=Cc2ccccn2)c2nc3ccccc3nc12 |w:11.10|
BDBM33731 Fc1ccc(NC(CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)cc1
BDBM33470 O=C1N=C(S\C1=C/c1cccs1)c1ccccc1 |c:2|
BDBM32048 C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc2OCOc2c1
BDBM32135 Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
BDBM32113 Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
BDBM34783 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1 |w:13.13|
BDBM34702 CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|
BDBM34459 Clc1ccc(OCc2nnc(NC(=O)C3CCCO3)s2)cc1
BDBM34606 CC(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
BDBM35435 Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
BDBM35480 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(=O)n(Cc2ccccc2)c1=O
BDBM37614 Cc1ccc(C)c(c1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccncc1
BDBM37498 CCOc1ccccc1Nc1ncnc2n(ncc12)-c1ccccc1
BDBM37459 CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1 |t:2|
BDBM37178 Cc1cc(C)cc(c1)-c1nc(no1)-c1ccncc1
BDBM38912 NC1C2CN(CC12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
BDBM37242 CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
BDBM38837 O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
BDBM40532 Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C
BDBM38774 CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1
BDBM38275 Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4OCCOc4c3)c(=O)[nH]c12
BDBM38225 Cc1n[nH]c(=S)n(N=Cc2ccccn2)c1=O |w:7.6|
BDBM38462 CSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1
BDBM37147 CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N
BDBM37220 c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccncc1
BDBM37221 CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
BDBM36830 CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)Nc1ccccc1OC
BDBM36832 Clc1cc(NC(=O)c2nnc[nH]2)ccc1N1CCCCC1
BDBM37100 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ncccc2c1
BDBM37128 COc1ccc(cc1OC)-c1nc(no1)-c1cccc(C)c1
BDBM37361 COc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
BDBM41416 Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
BDBM41132 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|
BDBM41410 COc1ccccc1-c1cc(no1)C(=O)NC(C)c1ccccc1
BDBM41366 CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2OCCOc2c1
BDBM40570 N1C(Nc2cccc3cccc1c23)c1ccco1
BDBM40680 CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(=NCC2=O)c2ccccc2)cc1 |c:20|
BDBM39918 Cc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2oc3CCCCc3c12 |w:12.13|
BDBM40387 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)S(C)(=O)=O)cc1
BDBM40167 Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)c(Cl)c(=O)n2[nH]1 |(8.7,-1.22,;9.94,-2.13,;9.94,-3.67,;11.41,-4.14,;12.31,-2.9,;13.85,-2.9,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;3.08,2.6,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
BDBM39879 COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCc2ccccc12
BDBM39291 Cc1c(C)c2cc(ccc2n1C)C(=O)NCc1cccs1
BDBM39795 Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)n1 |w:13.13|
BDBM39561 Cc1noc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1Cl
BDBM39562 O=C(CSc1nnc[nH]1)Nc1nnc(s1)-c1ccccc1
BDBM39258 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nnc(C)s1
BDBM43247 Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
BDBM42426 Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1
BDBM42714 Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
BDBM42825 Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
BDBM42331 CN(C)CCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(C)c(C)c1
BDBM41643 CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1
BDBM41610 Fc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)-c1cccs1
BDBM41840 Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O
BDBM44712 CC(=O)N1CCN=C1SCc1ccc(C)cc1 |c:6|
BDBM44713 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
BDBM44748 CC(=O)N1CCN=C1SCc1ccc(Cl)cc1 |c:6|
BDBM44749 COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC
BDBM44750 CCOc1ccc(cc1)-c1nc(C#N)c(o1)N1CCCCCC1
BDBM44787 Clc1ccc(CSc2nnc[nH]2)cc1
BDBM44788 Clc1ccc(CSCC(=O)NCC2CCCO2)cc1
BDBM44789 COc1ccc(-c2n[nH]cc2-c2cnn(c2)-c2ccccc2)c(O)c1
BDBM44790 Fc1ccc(OCC(=O)Nc2ccc(cc2)-n2cnnn2)cc1
BDBM44791 COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1OC)c1ccccc1
BDBM44792 CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1
BDBM44793 Cc1ccc(cc1C)C(=O)CSc1nnc([nH]1)-c1ccco1
BDBM44794 COc1cc(cc(OC)c1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccc(C)cc1 |t:16|
BDBM44795 CCCCc1ccc(cc1)-c1nc(no1)-c1ccncc1
BDBM44796 [#6]-[#8]-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc12
BDBM44916 Cn1cc(cc1-c1nnc(COc2ccc(F)cc2)o1)C(=O)c1ccc(Cl)cc1Cl
BDBM44918 COc1ccc(cc1)-n1c(O)cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1O
BDBM44919 CCc1nnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)s1
BDBM44920 Oc1cc(N2CCC(CC2)c2nc3ccccc3o2)c(O)n1-c1cc(Cl)cc(Cl)c1
BDBM44921 Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccc(Br)cc1)-c1ccccc1Cl
BDBM45073 Cc1ccc2c(C)nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc2c1 |w:9.8|
BDBM45074 O=C(CCN1C(=S)S\C(=C/c2ccccc2)C1=O)NNC(=O)c1cccnc1
BDBM45075 [O-][N+](=O)c1ccccc1-c1ccc(\C=C2/Sc3[n-]c(=O)c(n[n+]3C2=O)-c2ccccc2)o1
BDBM45076 Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1O
BDBM45077 Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
BDBM45078 COc1cccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)c1O |w:8.8|
BDBM45079 CC1(C)Cc2c(CO1)sc1nnn(Cc3ccc(Cl)cc3)c(=O)c21
BDBM45080 [O-][N+](=O)c1cccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1
BDBM45081 Fc1ccc(cc1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
BDBM45082 Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(cc(C)c1=O)[N+]([O-])=O |w:9.9|
BDBM45083 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1
BDBM45084 Fc1ccccc1C(=O)NC(=S)NC(=O)c1ccccc1F
BDBM45085 Clc1ccc(Cl)c(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
BDBM45086 Cc1ccc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2c1 |w:7.6|
BDBM45087 Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)NCC=C)c1C
BDBM45088 ClC1(Cl)CC1c1ccc(NC(=O)c2ccccc2Br)cc1
BDBM44639 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1c(C)n[o+]n1[O-] |c:13,t:10|
BDBM44640 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)s1
BDBM44641 CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
BDBM44642 CCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(n2)N(C)C)cc1
BDBM44643 C1CCC(CC1)c1noc(n1)-c1cc(nc2ccccc12)-c1ccncc1
BDBM44644 COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12
BDBM44645 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
BDBM44646 CCOC(=O)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1cccc(OC)c1
BDBM44647 N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc1ccccc1)c34
BDBM44648 COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
BDBM44649 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(C)C(=O)Nc2nnc(CC)s2)C1=O |c:5,TLB:9:8:2:5.6,THB:24:7:2:5.6|
BDBM44650 NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1
BDBM44651 CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12
BDBM44652 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccc1Cl
BDBM44653 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1
BDBM44654 COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1
BDBM44655 Clc1ccc(OCC(=O)NCc2nnc(SCC(=O)NCc3ccc4OCOc4c3)o2)cc1
BDBM44656 NC(=O)C1(CCN(CC1)C(=O)c1cccn2c1nc1ccc(Cl)cc1c2=O)N1CCCCC1
BDBM44657 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3OCOc3c2)cc1
BDBM44658 COc1ccc(cc1)C1C(CCC(=O)N1c1ccc(OC)cc1)C(=O)Nc1cccc(C)n1
BDBM44659 COc1ccc(cc1)C(=O)NCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc12
BDBM44660 Cc1cccc(OCc2nc(no2)-c2nonc2N)c1C
BDBM44661 CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(F)c1 |c:5,t:8|
BDBM44662 Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2c1
BDBM44663 CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1
BDBM44714 CCc1ccc2NC(=O)N(C(=C)c2c1)c1ccc(C)cc1
BDBM44715 COc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccc(OC)cc2)cc1
BDBM44716 CC1CCc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccco3)cc2C1
BDBM44717 CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N
BDBM44718 COc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1
BDBM44719 CCc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1
BDBM44720 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1
BDBM44721 CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
BDBM44751 COc1ccccc1CNC(=O)Cn1cc2CCCCc2n1
BDBM44752 O=C(NCCC1=CCCCC1)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12 |t:5|
BDBM44753 COc1ccc(cc1)N1Cc2cccc(C(=O)NC(C)CCc3ccco3)c2C1=O
BDBM44754 COc1ccc(cc1OC)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
BDBM45028 CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1nnc(C)s1
BDBM45029 CC(C)c1ccc(CNc2cc(ccc2[N+]([O-])=O)N2CCCC2)cc1
BDBM44559 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)s1
BDBM44560 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)NCC(C)C)s1
BDBM44561 Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4OCCOc4c3)cc12
BDBM44562 Cn1c2nc(CN3CCOCC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O
BDBM44563 COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1
BDBM44756 Fc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 |t:7|
BDBM44757 CCC(C)Nc1ncnc2n(Cc3ccc(Cl)cc3)ncc12
BDBM44758 CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1cccc(C)c1
BDBM44759 Oc1c(sc2ncnn12)C(N1CCC(Cc2ccccc2)CC1)c1ccco1
BDBM44760 Clc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccc2OCCOc2c1
BDBM44761 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
BDBM44762 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1cccc(Cl)c1)c1cccs1
BDBM44763 O=C(CCc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1
BDBM44764 FC(F)(F)c1cccc(c1)N1CC(CC1=O)c1nc2ccccc2[nH]1
BDBM44839 O=C1OC(Nc2ccccn2)c2ccccc12
BDBM44840 CC(C)CCC1CC(CSC(N)=N)OC1=O
BDBM44841 CCOC(=O)C(C1CCCCC1)C(=O)Nc1nc2ccccc2s1
BDBM44842 Clc1ccc(CSc2nc3CCCCc3cc2C#N)cc1
BDBM44843 O=C1N(Nc2ccccc2)C(=N\C1=C\c1cccs1)c1cccs1 |c:11|
BDBM44922 Cc1nnc(NC(=O)c2c(F)cccc2F)s1
BDBM44923 CCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccccc2)C1=O |w:6.6|
BDBM44977 Clc1ccc(CSc2nnc(o2)-c2cccn(Cc3ccccc3)c2=O)cc1
BDBM44978 O=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12
BDBM44979 COC(=O)c1cnn(c1N)-c1cc(Oc2ccccc2)ncn1
BDBM44980 CCn1c(C)c(C)c2cc(ccc12)C(=O)Nc1cccc(Cl)c1
BDBM44981 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)n1
BDBM44982 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1
BDBM44983 CCCCCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccnc1 |w:18.18|
BDBM44984 CNc1oc(nc1P(=O)(c1ccccc1)c1ccccc1)-c1ccc(C)cc1
BDBM44985 C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(3.84,6.9,;3.84,5.36,;5.17,4.59,;5.33,3.06,;6.84,2.74,;7.47,1.33,;6.56,.09,;5.02,.09,;4.54,-1.38,;3.08,-1.85,;5.79,-2.28,;7.04,-1.38,;8.5,-1.85,;5.79,-3.82,;7.12,-4.59,;7.12,-6.13,;5.79,-6.9,;4.46,-6.13,;4.46,-4.59,;3.12,-3.82,;7.61,4.07,;9.14,4.24,;6.58,5.22,;6.9,6.73,)|
BDBM44986 Brc1cncc(c1)C(=O)NC(=S)Nc1nc(cs1)-c1ccccc1
BDBM44987 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
BDBM44988 Clc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NC2CCCC2)c2c[nH]c3ccccc23)c2ccccc2)n1
BDBM45030 Cc1cc(C=C2SC(S)=NC2=O)c(C)n1C |w:4.3,c:8|
BDBM45031 CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(cc2)C(C)(C)C)c1=O |(3.08,3.47,;4.41,4.24,;5.75,3.47,;7.08,4.24,;7.08,5.78,;8.41,6.55,;9.75,5.78,;11.08,6.55,;11.08,8.09,;12.42,8.86,;9.75,4.24,;8.41,3.47,;11.08,3.47,;12.42,4.24,;12.42,5.78,;13.75,3.47,;15.13,4.29,;16.52,3.5,;16.52,1.89,;15.13,1.1,;13.75,1.93,;12.42,1.16,;12.42,-.39,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;13.75,-7.32,;13.75,-8.86,;15.29,-7.32,;12.21,-7.32,;11.08,1.93,;9.75,1.16,)|
BDBM45032 CCC1(C)Cc2c(CO1)sc1nnn(Cc3ccccc3Cl)c(=O)c21
BDBM45033 CCOc1cccc(CNc2ccc(cc2)C(O)=O)c1OCC=C
BDBM45034 CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(Cl)cc2)c1=O |(3.08,2.7,;4.41,3.47,;5.75,2.7,;7.08,3.47,;7.08,5.01,;8.41,5.78,;9.75,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;9.75,3.47,;8.41,2.7,;11.08,2.7,;12.42,3.47,;12.42,5.01,;13.75,2.7,;15.13,3.52,;16.52,2.73,;16.52,1.12,;15.13,.33,;13.75,1.16,;12.42,.39,;12.42,-1.16,;13.75,-1.93,;13.75,-3.47,;12.42,-4.24,;12.42,-5.78,;13.75,-6.55,;13.75,-8.09,;15.08,-5.78,;15.08,-4.24,;11.08,1.16,;9.75,.39,)|
BDBM45035 COc1ccc(cc1)-c1cc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc2n1
BDBM45036 COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1
BDBM45037 Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
BDBM45117 CCOc1ccc2N(C)C(=O)C(N=O)c2c1
BDBM45118 COC(=O)NN=Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 |w:5.4|
BDBM44564 O=C(COc1ccc2oc3CCCCc3c2c1)Nc1ccccn1
BDBM44604 FC(F)(F)CNC(=O)Nc1nnc(s1)C(F)(F)F
BDBM44605 CCOC(=O)c1ccc(cc1)N1C(c2c(C)[nH]nc2C1=O)c1ccc(OC)cc1OC
BDBM44606 Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1
BDBM44677 CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1
BDBM44678 Cc1cc(no1)C(=O)Nc1nnc(s1)C(F)(F)F
BDBM44679 CN(C)C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1
BDBM44682 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc[nH]1
BDBM44683 CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1cccs1
BDBM44684 COC(=O)c1ccc(COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc1
BDBM44685 CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
BDBM44686 Cc1c(oc2ccccc12)C(=O)Nc1nnc(s1)C(F)(F)F
BDBM44687 Oc1cc(N2CCCN(CC2)c2cc(O)n(c2O)-c2ccc(F)cc2)c(O)n1-c1ccc(F)cc1
BDBM44688 CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccncc1
BDBM44689 Cc1ccc(NC(=O)CCSc2nnnn2-c2ccc3OCOc3c2)cc1C
BDBM44690 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)s1
BDBM44845 OC12C3CCCCC3(N3CCOCC3)[N+]([O-])=C1CCc1nonc21 |c:17|
BDBM44925 Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1
BDBM44926 Cc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1
BDBM44927 CCCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O |w:7.7|
BDBM44928 Cc1nc(OCc2ccccc2)c2sc3nc4CC(C)(C)OCc4cc3c2n1
BDBM44929 CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2[nH]1
BDBM44930 CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1
BDBM44931 CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(=O)[nH]1
BDBM44993 CC(C)Oc1ccc(CSC(N)=N)cc1
BDBM44994 Cc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2ccccc2F)n1
BDBM44995 Cc1c(N2C(=S)S\C(=C/c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
BDBM44996 O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1
BDBM44997 Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
BDBM44998 Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C
BDBM44999 CC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F
BDBM45000 CCOC(=O)c1nnc(nc1Oc1ccccc1Cl)-c1ccccc1
BDBM45200 OC(=O)CCN1C(=O)CC(N2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)C1=O
BDBM45201 COc1cccc(C=NNC(=O)CNC(=O)c2ccc3OCCOc3c2)c1O |w:8.8|
BDBM45202 Clc1ccc(CN2C(=O)SC(CC(=O)Nc3nccs3)C2=O)cc1
BDBM44566 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2nccs2)c1=O
BDBM44568 CC(C)OC(=O)CSc1nnc2-c3ccccc3CC(C)(C)n12
BDBM44607 COc1ccc(CNc2nc3n(C)c(=O)n(Cc4ccc(Br)cc4)c(=O)c3n2C)cc1
BDBM44608 CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
BDBM44609 COc1ccccc1-c1nc(C#N)c(o1)N1CCc2ccccc2C1
BDBM44610 O=c1c2c(nc3[nH]nc(SCC#N)n13)-c1ccccc1CC21CCCC1
BDBM44664 CC(C)OC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1 |c:6,t:9|
BDBM44665 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C
BDBM44666 COc1cccc(Nc2ncc(C(O)=O)c3ccccc23)c1
BDBM44667 Cc1ccc(cc1)-c1cc(nc(NCc2cccnc2)n1)C(F)F
BDBM44668 CN(Cc1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
BDBM44669 CCCCOc1ccc(cc1)C(=O)Oc1ccc(C)nc1
BDBM44670 COc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(OC)c1
BDBM44671 COc1ccc(Cl)cc1C(=O)Nc1ccc2OCOc2c1
BDBM44672 Oc1cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c(O)n1-c1ccc(F)cc1
BDBM44797 N#CCn1nnc(n1)-c1ccc2OCOc2c1
BDBM44798 Brc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccc1
BDBM44799 O=c1oc(nc2sc3CCCCc3c12)-c1cc2ccccc2o1
BDBM44800 O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc[nH]1
BDBM44846 [H]C12CCC(C)(c3nc(SCc4ccc(Cl)cc4)nnc13)C2(C)C |TLB:7:6:21:3.2,THB:19:20:21:3.2|
BDBM44847 FC(F)(F)c1cc(nc2c(cnn12)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1cccs1
BDBM44848 Cc1cccc(NC(=O)Cc2sc(=O)n(c2O)-c2ccccc2)c1
BDBM44932 CC(=O)C(C#N)=C1NC(=O)C(Cc2ccc(C)c(C)c2)S1 |w:6.21|
BDBM44933 C1CN(CCN1C(c1ccccc1)c1ccccc1)c1nc2ccccc2n2cnnc12
BDBM44934 Clc1cccc(c1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1
BDBM44935 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCCCC1
BDBM44936 FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1 |t:6|
BDBM45130 Cc1nc(nc(N=NCc2ccccc2)c1CC=C)-c1ccccc1 |w:6.5|
BDBM45131 C[C+]([N-]NC(=O)CSc1ccccn1)c1ccc(cc1)[N+]([O-])=O
BDBM45138 Cc1cc(N=NCc2ccccc2Cl)nc(NCc2ccccc2)n1 |w:4.3|
BDBM45139 C\C(C=NNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)=C/c1ccccc1 |w:3.3|
BDBM45140 COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1 |w:8.8|
BDBM45141 CCCCCCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:11.11|
BDBM45142 CCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1
BDBM45143 CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)OC |c:14|
BDBM45144 CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)OC |c:14|
BDBM45145 COc1cccc(\C=[NH+]\NC(=O)C(C)n2nc(C)c(c2C)[N+]([O-])=O)c1[O-]
BDBM45146 Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12
BDBM45147 Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl
BDBM45148 COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(F)cc3)c(=S)n2NC(=O)c2ccccc2)cc1
BDBM45149 Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl
BDBM44569 COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(Cl)cc3)o2)c1
BDBM44570 CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CCOC
BDBM44571 COc1ccc(cc1)-c1ocnc1C(=O)Nc1ccccc1N1CCCCC1
BDBM44572 O=c1[nH]c(nc2n(Cc3ccccc3)nnc12)C1CCCN(C1)S(=O)(=O)c1ccccc1
BDBM44573 CCOc1ccccc1N(C(C(=O)NCCC(C)C)c1ccco1)C(=O)c1snc(C(N)=O)c1N
BDBM44574 CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O
BDBM44575 COc1ccc(cc1)-c1nnc(SC(C)C(=O)Nc2cccc(Cl)c2)o1
BDBM44611 CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1
BDBM44612 CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C
BDBM44613 Cc1nc(=O)c(c(C)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
BDBM44614 Cc1cccc(NC(=O)Cn2c3sc4COC(C)(C)Cc4c3c(=N)n(Cc3ccco3)c2=O)c1
BDBM44674 Brc1cc2OCOc2cc1COc1ccc(cc1)-c1nnn[nH]1
BDBM44675 COc1ccc(cc1)-n1c(O)cc(N(CC=C)C(=O)Nc2ccc(Cl)cc2)c1O
BDBM44676 Cc1ccc(o1)C1N2C(=O)CSC2=NC(C)=C1C(=O)Nc1ccccc1C |c:14,17|
BDBM44722 CCC(=O)N1CCN=C1SCc1ccccc1 |c:7|
BDBM44723 Cc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1
BDBM44724 CC1CCCCC1NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1\C=C\N(C)C
BDBM44803 Brc1ccc(OCC(=O)N2CCN(CC2)C2CCCC2)cc1
BDBM44849 CCC(=O)c1ccc(N2CCOCC2)c(F)c1
BDBM44850 Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1
BDBM44851 Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(C)cc1
BDBM44891 Nc1ccc(CC2SC(=O)NC2=O)cc1
BDBM44892 Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(SCC2CCCO2)c(c1)[N+]([O-])=O
BDBM44725 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1
BDBM44727 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
BDBM44728 CN(Cc1ccccc1)c1nnc(NC(=O)c2c(C)onc2-c2ccccc2)s1
BDBM44729 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccc(F)cc1
BDBM44730 CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1
BDBM44731 CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(CC)cc1
BDBM44732 COc1cccc(c1)C1CC(c2ccc(Cl)cc2Cl)n2nc(N)nc2N1
BDBM44733 Clc1ccc(Cc2nnc(o2)C(=O)NC2CCCCCC2)cc1
BDBM44734 CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N
BDBM44735 Cc1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1
BDBM44736 O=C(CSc1nc2ccccc2o1)NCc1ccc2OCOc2c1
BDBM44737 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1cccs1
BDBM44738 O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1)NCc1ccccn1
BDBM44804 Cc1c(oc2ccc3c(C)cc(=O)oc3c12)C(N=O)c1ccccc1
BDBM44805 Brc1ccc(CSc2nnc[nH]2)cc1
BDBM44806 Brc1ccc(o1)C(=O)NCC1(CCOCC1)c1ccccc1
BDBM44807 CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1
BDBM44808 CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C
BDBM44809 CCOC(=O)Cc1csc(NC(=O)c2c(C)onc2-c2ccccc2)n1
BDBM44853 CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC(C)(C)C
BDBM44854 Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccccc3Cl)nnc12
BDBM44855 COc1ccc(cc1)N1CCN(CC1)c1nc(Cl)nc(n1)N1CCOCC1
BDBM44856 CCOC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)cc1
BDBM44857 Cc1cccc(Cc2sc(Nc3ccccn3)nc2O)c1
BDBM44858 CC1CC(C)CN(C1)c1cc(C)nc2cc(nn12)-c1cccc(C)c1
BDBM44859 Cc1ccccc1NC(=O)Cc1sc(=O)n(c1O)-c1ccccc1
BDBM44860 Fc1cccc(c1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
BDBM44861 Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1cccc(C)c1C
BDBM44862 Clc1ccccc1Cn1nnc2c(nc(nc12)C1CC1)N1CCN(CC1)C(=O)c1ccco1
BDBM44863 COc1ccc(cc1)-c1cc2nc(C)cc(N3CC(C)CC(C)C3)n2n1
BDBM44864 CCCCN(C(=O)Cc1cccs1)c1nnc(s1)-c1cccnc1
BDBM44865 O=C1N(C(=O)c2cccc3cccc1c23)c1ccncc1
BDBM44866 Cc1onc(c1C(=O)Nc1sc2CC(CCc2c1C#N)C(C)(C)C)-c1c(F)cccc1Cl |(15.05,2.84,;15.53,1.38,;16.99,.9,;16.99,-.64,;15.53,-1.11,;14.62,.13,;13.08,.13,;12.31,-1.2,;12.31,1.47,;10.77,1.47,;9.87,.23,;8.41,.7,;7.08,-.07,;5.75,.7,;5.75,2.24,;7.08,3.01,;8.41,2.24,;9.87,2.71,;10.35,4.17,;10.83,5.63,;4.41,-.07,;3.08,-.84,;3.64,1.26,;5.18,-1.41,;15.85,-2.62,;17.31,-3.1,;18.46,-2.07,;17.63,-4.6,;16.49,-5.63,;15.02,-5.16,;14.7,-3.65,;13.24,-3.17,)|
BDBM44893 Brc1ccc(cc1)C(=O)CC=NNC(=O)c1ccccc1 |w:11.12|
BDBM44894 Cc1cccc(N2CCN(CC2)C(=O)Cc2ccc(Br)cc2)c1C
BDBM44895 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
BDBM44896 CCc1c(C)sc(NC(=O)c2cc(CC(C)C)on2)c1C#N
BDBM44938 Cc1cc(C)n2nc(nc2n1)C(=O)Nc1nnc(s1)C1CC1
BDBM44939 CN1\C(=C/C(=O)c2oc3ccccc3c2N)C(C)(C)c2ccccc12
BDBM44940 Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C
BDBM44941 Cc1ccc(OCc2nnc([nH]2)-c2ccc(Cl)cc2)cc1
BDBM44942 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1nnc[nH]1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM44990 Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6|
BDBM44991 COc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1
BDBM44992 COc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)Cn1cnc2ccccc12
BDBM45002 Cc1cc([nH]n1)C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 |w:9.9|
BDBM45003 FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1
BDBM45004 CC(C)CC(=O)n1sc(NC(=O)c2ccccc2)nc1=O
BDBM45039 Cc1cccc(NC(=O)C(\NC(=O)c2ccc(Cl)cc2)=C/c2ccc(o2)[N+]([O-])=O)c1
BDBM45040 C\C(\C=C1/SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C/c1ccccc1
BDBM45041 O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
BDBM45042 Cc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc(C)c2c1
BDBM45043 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1
BDBM45044 Cc1cc(NC(=O)CN2C(=O)S\C(=C/c3ccccc3)C2=O)no1
BDBM45153 OC(=O)\C=C/C(=O)NC1CCCCC1
BDBM45154 COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)n2NC(=O)c2cccc(F)c2)cc1
BDBM45155 Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc23)s1
BDBM45156 Oc1ccc(Br)cc1C=NNC(=O)CCc1ccccc1 |w:9.10|
BDBM44740 CCOc1ccc(NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
BDBM44741 COc1ccc(Cl)cc1N1C(N2CCCC2C1=O)c1ccc(F)c(F)c1
BDBM44742 CC(CCc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1sccc1-n1cccc1
BDBM44743 CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc23)cc1
BDBM44765 Cc1nnc(NC(=O)c2ccco2)s1
BDBM44766 COc1cc(cc(OC)c1OC)C(N1CCN(CC1)c1ccccc1F)c1sc2ncnn2c1O
BDBM44767 CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
BDBM44869 COc1ccc(cc1OC)-c1c(Cl)nc(N[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1
BDBM44870 CC(C)CCOc1ncnc2c3cc4CSC(C)(C)Cc4nc3sc12
BDBM44871 Cc1ccsc1CNn1cnnc1SCc1ccc(Cl)cc1
BDBM44872 COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Br)cc1
BDBM44873 Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)cc1
BDBM44874 FC(F)(F)c1nnc(NC(=O)C2COc3ccccc3O2)s1
BDBM44897 CC(C)c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
BDBM44898 COc1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1
BDBM44899 Cn1c(cc2oc3ccccc3c12)C(=O)NCc1ccccc1
BDBM44900 CCCNC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C
BDBM44901 CC(SC1=NCCS1)C(=O)Nc1nnc(s1)-c1ccc(Br)cc1 |t:3|
BDBM44902 CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1ccc(C)o1
BDBM44903 Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1
BDBM45006 COc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1O |w:8.8|
BDBM45007 COc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O |w:8.8|
BDBM45008 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
BDBM45009 COc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1
BDBM45010 Cc1ccc(cc1)S(=O)(=O)NN=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.11|
BDBM45011 [O-][N+](=O)c1cccc(c1)-c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1
BDBM45012 Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccccc3)C2=O)n1 |w:13.13|
BDBM45013 COc1cccc(c1)-c1csc(NC(=O)Oc2ccccc2)n1
BDBM45014 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)C(=O)c2ccccc2[N+]([O-])=O)cc1
BDBM45015 Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1
BDBM45165 Cc1ccccc1NC(=O)CSC1=NCCN1 |t:13|
BDBM45166 COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccc(OC)cc1 |c:11|
BDBM44576 Clc1ccc(c(Br)c1)S(=O)(=O)N1CCCCC1
BDBM44577 CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
BDBM44615 Cc1nnc2sc(nn12)-c1ccncc1
BDBM44616 Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1
BDBM44617 COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
BDBM44691 CCCOc1ccc(CSc2nnc[nH]2)cc1
BDBM44692 Cn1nnc(NC(=O)COc2ccc(cc2)C2CCCCC2)n1
BDBM44768 CC1CC(C)CN(C1)C(c1sc2ncnn2c1O)c1ccc(C)cc1
BDBM44769 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CC)s1
BDBM44770 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccccc1)c1cccs1
BDBM44771 Clc1ccc(CCNC(=O)c2cnc3SCCn3c2=O)cc1
BDBM44772 CC1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
BDBM44810 Oc1csc(NC(=O)c2ccccc2)n1
BDBM44811 C(Nc1ncnc2n(ncc12)-c1ccccc1)c1cccnc1
BDBM45046 CC(NC(=O)c1ccc(Br)cc1)c1ccc2CCCCc2c1
BDBM45047 OC(COc1ccccc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM45126 CCOP(=O)(OCC)C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N(CC)CC
BDBM45127 COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O |w:8.8|
BDBM45128 Cc1cc(C)nc(N=NCc2cccc3ccccc23)n1 |w:7.6|
BDBM45132 Cc1cc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2cc1C |w:6.5|
BDBM45133 Clc1ccc(cc1)-n1c(SCC(=O)NN=Cc2ccco2)nnc1-c1ccccc1 |w:14.14|
BDBM45134 COc1ccc(CN=Nc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1OC |w:8.8|
BDBM45135 COc1ccc(Cc2nnc(N=NCc3ccc(O)cc3O)[nH]c2=O)cc1OC |w:11.10|
BDBM45136 COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
BDBM44578 CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
BDBM44579 COC(=O)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
BDBM44582 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(C)c2COC(C)(C)Cc2c1C#N
BDBM44618 CN1C(=O)N(C)C(=O)C2(Cc3cc4cc(C)ccc4nc3N3CCCCC23)C1=O
BDBM44619 Oc1c2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc34)c2c(O)n1-c1ccc(F)cc1
BDBM44620 COc1ncnc2c1oc1nc(CC(C)C)c3CCCCc3c21
BDBM44693 COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N
BDBM44695 Cc1ccnc(NC(=O)COc2ccc3oc4CCCCc4c3c2)c1
BDBM44696 CCC(Oc1ccccc1)C(=O)Nc1nnc(s1)C(F)(F)F
BDBM44814 CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1
BDBM44815 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4OCOc4c3)cc2)n1
BDBM44816 CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1
BDBM44878 FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1 |t:6|
BDBM44879 CC(C)(C)c1ccc(OCC(O)CSc2nnc[nH]2)cc1
BDBM44880 CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1
BDBM44881 COc1ccc([N-]C(=[NH+]Nc2ccc(cc2)[N+]([O-])=O)P(=O)(N2CCOCC2)N2CCOCC2)cc1 |w:8.8|
BDBM44882 CC1CCC(CC1)NC(=O)Cn1c2CCCc2c(cc1=O)-c1ccccc1Cl |(3.08,-7.32,;4.41,-6.55,;4.41,-5.01,;5.75,-4.24,;7.08,-5.01,;7.08,-6.55,;5.75,-7.32,;8.41,-4.24,;8.41,-2.7,;7.08,-1.93,;9.75,-1.93,;9.75,-.39,;11.08,.39,;12.54,-.08,;13.44,1.16,;12.54,2.39,;11.08,1.93,;9.75,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;9.75,4.24,;8.41,5.01,;8.41,6.55,;9.75,7.32,;11.08,6.55,;11.08,5.01,;12.42,4.24,)|
BDBM44883 CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
BDBM44884 Cc1cc(C)c(NC(=O)c2sc3nc4CC(C)(C)CC(=O)c4cc3c2N)c(C)c1
BDBM44885 Cc1ccc(CC2S\C(N(C2=O)c2ccccc2)=C(\C#N)C(=O)N2CCOCC2)cc1
BDBM44886 Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(Cl)c1
BDBM45151 Cc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3ccccc23)cc1
BDBM45152 C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)=C/c1ccccc1
BDBM44583 CSC1=NP(=S)(SC)N2CCCC2=C1C#N |c:13,t:2|
BDBM44584 Cc1nc(=O)c(c(C)n1-c1cccc(c1)C(O)=O)-c1ccccc1
BDBM44586 CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
BDBM44621 Oc1c2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc34)c2c(O)n1-c1ccc(F)cc1
BDBM44622 Cc1nc(nc2CC(CC(=O)c12)c1ccco1)N1CCN(Cc2ccccc2)CC1
BDBM44623 Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC34)C2=O)cc1
BDBM44698 Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O
BDBM44699 Brc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
BDBM44775 COc1ccc(cc1)-n1c(SCC(=O)Nc2ccccc2)nc2CCSc2c1=O
BDBM44776 Oc1c(sc2ncnn12)C(N1CCc2ccccc2C1)c1ccccc1
BDBM44817 CCOC(=O)c1ccc(cc1)N1CN=C2SCC(=O)N2C1 |t:14|
BDBM44818 CNC[C@H](O)c1ccc(O)c(O)c1
BDBM44819 Clc1ccc(cc1)-c1nnc(SC2CCc3ccccc3NC2=O)s1
BDBM44820 COc1ccccc1-c1nnc(SC2CCc3ccccc3NC2=O)s1
BDBM44821 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCc2ccccc12)c1nnnn1C1CCCC1
BDBM44822 Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2-c2ccccc2)cc1
BDBM44823 COc1ccc(cc1)-n1c(C)nc(=O)c(c1C)-c1ccccc1
BDBM44824 CC(C(=O)N1c2ccccc2CCc2ccccc12)n1nnc(n1)-c1ccc(cc1)N(C)C
BDBM44825 Clc1ccc(CSCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
BDBM44826 Cc1ccc(cc1)C(N1CCN(CC1)c1ncccn1)c1nnnn1CS(=O)(=O)c1ccc(C)cc1
BDBM44827 COc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1C(C)Cc3ccccc13)c2=O
BDBM44888 CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC
BDBM44889 Cn1nc(c2cc(NC(=O)OCc3ccc(cc3)C(C)(C)C)sc12)C(F)(F)F
BDBM44890 CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
BDBM44943 O=C1CSC2=NCN(CN12)c1ccccc1 |t:4|
BDBM44944 O=C(CSc1nnc[nH]1)NCCC(c1ccccc1)c1ccccc1
BDBM45049 NS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2nc(cs2)-c2ccccc2)c1=O)-c1ccccc1 |w:11.12|
BDBM45157 CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:16.16,19.19|
BDBM45158 O=C(Nc1nc(cs1)-c1ccc(Oc2ccccc2)cc1)C1=COCCO1 |t:24|
BDBM45159 O=C(NCCc1ccccc1)C(=O)c1c(cc2ccccn12)-c1ccccc1
BDBM45160 CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:18.18,21.21|
BDBM45161 CCn1c(SCc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
BDBM45162 Fc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
BDBM45163 Clc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
BDBM45164 Clc1ccc(CNC(=O)C(=O)NCC(N2CCOCC2)c2ccco2)cc1
BDBM44587 Oc1c(CC(=O)Nc2ccccc2)sc(=O)n1-c1ccccc1
BDBM44588 CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCC=C
BDBM44589 CC(=O)Nc1ccc(cc1)-n1c(C)nc(=O)c(c1C)-c1ccccc1
BDBM44590 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2ccc(F)cc2)c1=O
BDBM44591 CCOc1ccc(cc1)-c1nc(C#N)c(NCC(C)C)o1
BDBM44592 COc1ccccc1C1C(C(=O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1
BDBM44593 Fc1ccc(OCc2nc(C#N)c(o2)N2CCC(Cc3ccccc3)CC2)cc1
BDBM44594 Brc1ccc(OCc2nc(C#N)c(o2)N2CCCC2)cc1
BDBM44625 Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1
BDBM44626 Cc1c(OCC(=O)OC(C)(C)C)ccc2c3CCCc3c(=O)oc12
BDBM44627 CCN(CC)S(=O)(=O)c1ccc2n(CC)c(SCn3nnc4ccccc4c3=O)nc2c1
BDBM44628 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1
BDBM44700 COc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
BDBM44701 COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)NC1CCCCC1
BDBM44702 COC(=O)C1C(C)Cc2[nH]c(C(=O)OC3CCCCC3)c(C)c2C1=O
BDBM44703 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NC1CCCCC1
BDBM44777 CC1CCN(CC1)C(c1sc2ncnn2c1O)c1ccc(C)cc1
BDBM44779 Cn1c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
BDBM44780 Clc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
BDBM44781 Oc1cc(N2CCN(CC2)c2nc3ccccc3s2)c(O)n1-c1ccc(F)cc1
BDBM44782 Cc1nc(=O)c(c(C)n1-c1ccc(cc1)C(O)=O)-c1ccccc1
BDBM44783 O=C(C(Sc1nnc[nH]1)c1ccccc1)c1ccccc1
BDBM44784 CCOC(=O)c1sc2nc3CCCCCn3c(=O)c2c1C
BDBM44785 Cc1cc2nc(oc2cc1C)-c1cccc(NC(=O)c2ccc(Br)o2)c1C
BDBM44786 Cc1ccc(o1)C1N2C(=O)CSC2=NC(C)=C1C(=O)Nc1ccccc1 |c:14,17|
BDBM44831 Clc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
BDBM44832 Cc1nc(=O)c(c(C)n1-c1ccc(O)cc1)-c1ccccc1
BDBM44833 Oc1ccc(cc1)C(N(C(=O)Cn1nnc(n1)-c1cccs1)c1ccc2OCCOc2c1)C(=O)NCc1ccccc1
BDBM44904 COC(=O)C(C=Nc1ccc(O)cc1)[N+]([O-])=O |w:6.6|
BDBM44905 Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O
BDBM44906 Cc1nnc(NC(=O)COc2ccccc2)s1
BDBM44945 O=C(Cn1c(=O)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c2c1=O)N1CCc2ccccc12
BDBM44946 NC(Cc1cccs1)=NOC(=O)COc1ccc(Br)cc1 |w:8.9|
BDBM44947 [#6]-[#6](=O)-[#7]-c1ccc2nc(-[#6])c(-[#6]\[#6]=[#6](\Cl)Cl)c(-[#8])c2c1
BDBM44948 CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)c2c(cc3ccccn23)-c2ccccc2)ccc1C
BDBM44949 O=C(CSc1nnc[nH]1)N1N=C2C(CCCC2=Cc2ccco2)C1c1ccco1 |w:17.19,c:11|
BDBM45050 COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccccc2C)cc1 |t:8|
BDBM45051 CC1CCC\C(C1)=C(/C#N)c1nc(cs1)-c1cc2ccccc2oc1=O
BDBM45052 CCOC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2)scc1-c1ccc(F)cc1
BDBM45167 CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1)-c1ccccc1
BDBM45168 CCOc1ccc(NC(=O)Nc2cc(sc2C(=O)OC)-c2ccccc2)cc1
BDBM45169 Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC1=CCCCC1 |t:19|
BDBM45170 Fc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1
BDBM45171 Cc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1
BDBM45172 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CON=C1C(=O)N(CCC)c2ccccc12 |w:18.20,TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
BDBM45173 COc1ccc(cc1NC(=O)COC(=O)\C=C\c1ccco1)[N+]([O-])=O
BDBM45174 CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(N)s1)-c1ccccc1
BDBM45175 CCCN1C(=O)C(=NOCC(=O)Nc2ccc(cc2)C(C)C)c2ccccc12 |w:7.7|
BDBM45176 Clc1ccc(OCc2nc3ccccc3n2CC(=O)NCCC#N)cc1
BDBM45177 COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1OC
BDBM45178 COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1
BDBM45179 CCOC(=O)C(=NNc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 |w:6.6|
BDBM45180 COc1ccc(cc1S(=O)(=O)N(C)Cc1ccccc1)C(=O)NCc1ccc2OCOc2c1
BDBM45181 CCCn1c(C)cc(\C=C(/C#N)C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1C
BDBM45182 Cc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1F
BDBM45183 COc1cc(\C=C(/C#N)c2ccccn2)ccc1OCc1ccccc1Cl
BDBM45184 FC(F)(F)C(=O)NC(CC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccccc1
BDBM45185 COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(CC1)c1ccc(F)cc1 |w:7.7|
BDBM45186 OC(C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM45187 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1
BDBM45188 CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1OCC(O)=O
BDBM45189 Cc1ccc(NC(=O)CCC(=O)NN=Cc2cccs2)cc1C |w:13.12|
BDBM45190 COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1
BDBM45191 Cc1cc(C)n(CCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1
BDBM45192 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\n2cnc3ccccc23)c1
BDBM45193 COc1cccc(\C=[NH+]\NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1[O-]
BDBM45194 O=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1
BDBM45195 Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
BDBM45196 Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C |c:8,16|
BDBM45197 CC(=NNC(=O)CCc1c[nH]c2ccccc12)c1cccc(c1)[N+]([O-])=O |w:2.2|
BDBM45198 O=C(CCN1C(=S)S\C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1
BDBM44629 CCOC(=O)c1cnn(c1N)-c1ccccn1
BDBM44630 Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
BDBM44631 [H]C12CC(C(=O)OCC(=O)Nc3ccc4OC(F)(F)Oc4c3)C([H])(C1)C=C2 |c:28,THB:4:3:24:25.26|
BDBM44835 Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1
BDBM44836 Cc1ccc(o1)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
BDBM44837 CCOC(=O)C1C(c2cccnc2)n2ncnc2N=C1C |c:20|
BDBM44838 COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1
BDBM44907 CCCCc1cc(=O)oc2cc(OCC(Cl)=C)ccc12
BDBM44908 N#Cc1nc(COc2ccccc2)oc1N1CCCCCC1
BDBM44909 CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
BDBM44910 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM44911 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N1CCCCC1
BDBM45054 CCc1ccc(cc1)-c1csc(NC(=O)Oc2ccccc2)n1
BDBM45055 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
BDBM45056 CCc1nccn1C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
BDBM45057 COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccc(F)cc2)cc1 |t:8|
BDBM45058 Cc1ccc(cc1C)N1C(=O)NC(=O)C(=Cc2ccsc2)C1=O |w:15.16|
BDBM45059 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccc(cc2)C(F)(F)F)s1
BDBM45060 C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
BDBM45061 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N(c1ccccc1)c1ccccc1
BDBM45119 NC(=N)SCc1nc2ccccn2c1Br
BDBM45120 [#8]-c1csc(=S)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM45121 Cc1nc(N=C(N)NC(=O)N2c3ccccc3Sc3ccccc23)nc2ccccc12 |w:4.3|
BDBM45123 Cc1ccc(cc1C)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1
BDBM45124 Cc1cc(C)n(CCC(=O)NN=Cc2ccccc2O)n1 |w:11.10|
BDBM44704 CC(=O)N1CCN=C1SCc1ccccc1F |c:6|
BDBM44705 Clc1ccc(Cc2nnc(o2)-c2ccccc2Br)cc1
BDBM44706 CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|
BDBM44707 Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc2OCOc2c1
BDBM44708 CCc1ccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCOCC2)cc1
BDBM44709 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCC1
BDBM44710 Brc1ccc(cc1)-c1cc(no1)C(=O)Nc1nnc(s1)N1CCCCCC1
BDBM44711 OC(=O)c1cccc(c1)-n1c(O)c2CC=C(Cl)Cc2c1O |t:15|
BDBM44950 Cc1ccc(o1)C(=O)Nc1nnc(C)s1
BDBM44951 COc1ccc(NC(=O)COC(=O)c2c3CCCCc3nc3ccccc23)cc1Cl
BDBM44952 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)Nc1nnc(CC)s1
BDBM44953 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccnc1OC
BDBM44954 COc1ccc(cc1S(=O)(=O)N1CCCc2ccccc12)C(=O)NCc1ccccc1
BDBM44955 CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
BDBM45016 NC(=N)SCc1cccc2ccccc12
BDBM45017 CC(C)(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl
BDBM45018 CC(=O)NN1C(=S)S\C(=C\c2ccc(C)cc2)C1=O
BDBM45019 Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCCCC4)c(c3)[N+]([O-])=O)nc12
BDBM45063 CCCCOc1ccc(\C=C\C(=O)Nc2ccc(cc2C)[N+]([O-])=O)cc1
BDBM45064 Cc1ccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)cc1
BDBM45065 CC(C)(CNC(=O)\C=C\c1ccc(F)cc1)CNC(=O)\C=C\c1ccc(F)cc1
BDBM45066 Clc1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
BDBM45067 Cc1ccc(cc1C)C(=O)COc1ccccc1-c1ccccc1
BDBM45068 Clc1ccc(OCc2nnc(NC(=O)CSc3ccccc3)s2)cc1
BDBM45069 NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1
BDBM45070 COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|
BDBM45071 NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|
BDBM45089 Clc1ccccc1NC(=S)NCc1ccccn1
BDBM45090 CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1
BDBM44595 COC(=O)CC1SC(=O)NC1=O
BDBM44632 Cc1nnc(NC(=O)c2ccccc2Br)s1
BDBM44633 OC(=O)CSC1N(Cc2ccccc2)C(=O)c2ccccc12
BDBM44634 Cc1onc(c1C(=O)OCC(=O)Nc1ccc2OCOc2c1)-c1ccccc1Cl
BDBM44744 CC(=O)N1CCN=C1SCc1ccc(Br)cc1 |c:6|
BDBM44745 Cc1ccc(cc1)-c1nc(no1)C1CCCN(C1)S(=O)(=O)c1ccc(C)cc1
BDBM44912 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C)c1ccc2OCCOc2c1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM44913 CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1
BDBM44956 CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccc(cc1)C(F)(F)F |c:6,t:10|
BDBM44957 COc1ccc2cc(ccc2c1)-c1cc(C(O)=O)c2ccccc2n1
BDBM44958 Oc1ccccc1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1CC=C |w:8.9|
BDBM45021 CCOC(=O)c1c(NC(=O)C2CCCCC2)scc1-c1cccc(c1)[N+]([O-])=O
BDBM45022 Brc1ccc(OCC(=O)c2ccc3CCCCc3c2)cc1
BDBM45023 CCn1c(C)cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C
BDBM45024 Cc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1c(C)cccc1C |(3.08,-3.27,;4.54,-2.79,;5.02,-1.33,;6.56,-1.33,;7.47,-.08,;6.84,1.32,;5.33,1.64,;4.19,.61,;5.17,3.17,;6.58,3.8,;7.61,2.66,;9.14,2.82,;6.9,5.31,;8.36,5.78,;8.68,7.29,;7.54,8.32,;6.07,7.84,;5.75,6.34,;7.04,-2.79,;8.5,-3.27,;5.79,-3.7,;5.79,-5.24,;4.46,-6.01,;3.12,-5.24,;4.46,-7.55,;5.79,-8.32,;7.12,-7.55,;7.12,-6.01,;8.46,-5.24,)|
BDBM45025 Cc1ccc(cc1)N1C(=O)C2C(C1=O)(c1ccccc1)C2(c1ccccc1)c1ccccc1
BDBM45091 CCCCCCCOc1ccc(cc1)-c1ccc(cn1)C#N
BDBM45092 Oc1nc(Nc2ccccc2)sc1Cc1cccc(Cl)c1Cl
BDBM45093 CCn1c(COc2ccc(Cl)cc2)nnc1SC1CCc2ccccc2C1=O
BDBM45104 CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccc(N)cc1 |w:3.3|
BDBM45105 Cc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1
BDBM45107 Cc1ccc(OCc2nnc(SC3CCc4ccccc4C3=O)n2C)cc1
BDBM45108 COC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC2)C(=S)Nc2cccc(OC)c2)cc1
BDBM45109 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2C1\C=C\c1ccccc1 |c:5,t:8|
BDBM45110 Cc1cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C
BDBM45111 CC(=NNC(=S)Nc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
BDBM45112 COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccc(F)cc2)n(CCc2cccs2)c1=O
BDBM45113 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O
BDBM45114 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O
BDBM45115 Cc1cc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:4|
BDBM45116 Clc1ccccc1CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O
BDBM44596 Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
BDBM44598 COc1ccc(cc1)-n1c(O)cc(N2CCC(O)(CC2)c2cccc(c2)C(F)(F)F)c1O
BDBM44599 CCC1SC2=NC(C)=C(C(N2C1=O)c1cccs1)C(=O)OC |c:7,t:4|
BDBM44600 CCC1SC2=NC(C)=C(C(N2C1=O)c1ccc(cc1)C(=O)OC)C(=O)OCCOC |c:7,t:4|
BDBM44601 C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1
BDBM44602 COc1ccc(cc1)N1CCN(CC1)c1oc(COc2ccc(Cl)cc2)nc1C#N
BDBM44603 COc1ccc(CNc2nc3n(C)c(=O)n(Cc4ccc(Cl)cc4)c(=O)c3n2C)cc1
BDBM44635 CCOC(=O)\C=C1/SCC(=O)N1CCOc1cccc(Br)c1
BDBM44636 Cc1cc(C(=O)COC(=O)c2ccc3OCOc3c2)c(C)n1Cc1cccs1
BDBM44637 COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
BDBM44746 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)NCC1COc2ccccc2O1
BDBM44747 CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CCC#N)CC1
BDBM44914 Oc1ccc(NC(=O)C2CCCO2)cc1
BDBM44915 CCCCNc1oc(nc1S(=O)(=O)c1ccccc1)-c1ccc(OC)cc1
BDBM44959 COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(c2C)-c2cccc(Cl)c2Cl)c(OC)c1 |w:12.11,(8.41,-10.06,;7.08,-9.29,;7.08,-7.75,;8.41,-6.98,;8.41,-5.44,;7.08,-4.67,;7.08,-3.13,;8.41,-2.36,;9.75,-3.13,;8.41,-.82,;7.08,-.05,;9.75,-.05,;9.75,1.49,;11.08,2.26,;11.08,3.8,;9.84,4.7,;10.31,6.17,;9.41,7.41,;11.85,6.17,;12.33,4.7,;13.79,4.23,;12.76,7.41,;12.13,8.82,;13.04,10.06,;14.57,9.9,;15.19,8.5,;16.73,8.34,;14.29,7.25,;14.92,5.84,;5.75,-5.44,;4.41,-4.67,;3.08,-5.44,;5.75,-6.98,)|
BDBM44960 CN(C)C(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C
BDBM44961 Fc1cc(F)c(F)c(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)n2)c1F
BDBM44962 COc1cccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1OC |c:17,20|
BDBM44963 Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
BDBM44964 CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1
BDBM44965 CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
BDBM44966 COc1ccc(\C=C\C(=O)NCc2cnn(C)c2C)cc1COc1ccc(Br)cc1
BDBM44967 Cc1cccc(Cc2cnc(NC(=O)CN3C(=S)S\C(=C/c4ccccc4)C3=O)s2)c1
BDBM44968 O=C(CN1C(=S)S\C(=C/c2ccccc2)C1=O)Nc1ncc(Cc2ccccc2)s1
BDBM44969 COc1ccc(cc1OC)C1C(CCC(=O)N1c1ccc(C)cc1)C(=O)OCC(=O)NC(C)(C)C
BDBM44970 Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c(C)o1
BDBM44971 CN(C)C(=O)c1sc(NC(=S)NC(=O)c2cccs2)nc1C
BDBM44972 CCn1c(CNC(=O)COc2ccc(cc2)C(C)C)nnc1SCC(=O)Nc1ccccc1C(C)C
BDBM44973 CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21
BDBM44974 CCc1noc(C)c1C(=O)Nc1nc(c(C)s1)-c1cc(C)ccc1C
BDBM44975 CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(C)cc3)c(=O)c21
BDBM45095 Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCc3ccco3)c(=O)[nH]c12
BDBM45096 Oc1ccccc1C=NNC(=O)CC(=O)NCc1cccnc1 |w:8.9|
BDBM45097 CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccccc1 |w:3.3|
BDBM45098 COc1cc(ccc1NC(=O)c1ccncc1)S(=O)(=O)Nc1cccc(C)c1
BDBM45099 Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc4OCCOc4c3)c(=O)[nH]c12
BDBM45203 CCC(=NNC(=O)C(N)=O)c1ccccc1O |w:3.3|
BDBM45204 Brc1ccc(NCc2cc(=O)n3ccsc3n2)cc1
BDBM45249 CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
BDBM45250 Clc1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
BDBM45251 COc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1OC
BDBM45252 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)\C=C\c2cccs2)ccc1N1CCOCC1
BDBM45253 COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1
BDBM45254 CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
BDBM45255 COc1ccc(OCc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc2ccccc2Cl)cc1
BDBM45256 Cc1ccc(cc1)C(=O)CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1
BDBM45257 COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
BDBM45258 Clc1ccc(Oc2ccccc2)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1
BDBM45259 Cc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
BDBM45260 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NN=Cc1cc(Br)c(O)c(OC)c1 |w:16.18,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM45261 Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F
BDBM45264 Cn1nccc1CNC(=O)c1ccnn1C
BDBM45265 CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)C(O)(C1)C(F)(F)F |t:1|
BDBM45266 Fc1ccccc1C(=O)Nc1nc(COc2ccccc2)cs1
BDBM45038 COc1ccc(CN=Nc2cc(OC)ncn2)cc1 |w:8.8|
BDBM45045 CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
BDBM45048 CC(=C)C(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
BDBM45267 Fc1ccccc1CC(=O)Nc1cccc2cccnc12
BDBM45268 OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Br)cc2)o1)C(F)F)C(F)F |c:3|
BDBM45269 OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(F)F)C(F)F |c:3|
BDBM45270 CC(=NNC(=O)c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)c1cccc(NC(=O)c2cccnc2)c1 |w:2.2|
BDBM45271 CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
BDBM44565 CCOc1ccc2nc(SCC#N)c(cc2c1)C#N
BDBM44567 CCCCCCC1CC(CSc2nnc[nH]2)OC1=O
BDBM44580 O=C1CCCN2C(C=Cc3ccccc23)=C1C#N |c:7,16|
BDBM45053 CCSc1nnc(-c2ccc(C)cc2)c2ccccc12
BDBM45062 Cc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
BDBM45072 N=C(N1CCOCC1)C(=NNc1ccccc1)C#N |w:9.10|
BDBM45199 Oc1ccc(cc1)N1C(=S)S\C(=C\c2ccco2)C1=O
BDBM45263 CC(NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccc(Cl)cc1)c1ccc2OCCOc2c1
BDBM45273 Fc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
BDBM45274 CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
BDBM44581 COc1ccc(CSC2=NCCN2)cc1Cl |t:8|
BDBM44585 C[C@@H](N1C(=O)c2ccccc2C1=O)C(=O)[CH-][N+]#N
BDBM44597 N#Cc1nc(COc2ccccc2)oc1N1CCCC1
BDBM45100 ClCCCC(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
BDBM45101 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Br)cc1
BDBM45102 Brc1ccc(OCC(=O)NNC(=S)NCC=C)cc1
BDBM45272 CC(C)OC(=O)c1sc(N)c(C(=O)OC(C)C)c1C
BDBM44624 Fc1cc(Br)ccc1NC(=O)CSc1nnc[nH]1
BDBM44638 Cc1csc(n1)C(C#N)C(=O)c1cc2ccccc2o1
BDBM44673 CCCCc1ccc(NC(=O)c2c(C)noc2C)cc1
BDBM45103 Clc1ccc(OCc2nnnn2-c2ccccc2)cc1
BDBM45106 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1
BDBM45122 Cc1ccc(NN=C(C#N)C(=N)N2CCOCC2)cc1 |w:6.5|
BDBM45240 CCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1
BDBM45275 COc1ccccc1NC(=O)CSC1=NCCN1 |t:14|
BDBM45276 C\C(C=NNC(=O)c1nn(C)c(C)c1Br)=C/c1ccccc1 |w:3.3|
BDBM44680 CCC(C)c1ccc(O)c(NC(=O)c2nnc[nH]2)c1
BDBM44681 CCNc1oc(nc1C#N)-c1cccc2ccccc12
BDBM44694 CC(C)(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
BDBM45125 COC(=O)NN=Cc1ccc(o1)-c1ccc(C)c(Cl)c1 |w:5.4|
BDBM45129 COC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1 |w:5.4|
BDBM45137 [O-][N+](=O)c1ccc(N=NCc2ccccc2)c(F)c1 |w:7.6|
BDBM45206 Brc1ccc(OCc2nnc3CCCn23)cc1
BDBM45207 NC(=NN=Cc1ccc2OCOc2c1)c1nonc1N |w:3.2,1.0|
BDBM45208 CCC(Sc1nc2ccccc2o1)C(=O)Nc1nnc(C)s1
BDBM45209 O=C(Cc1ccccc1)Nc1ccccc1Oc1ccccc1
BDBM45210 CCc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:10|
BDBM45243 O=[#6]1-[#6]-[#6]-[#6]-[#6](=O)\[#6]-1=[#7]/[#7]-c1ccc2-[#8]-[#6]-[#8]-c2c1
BDBM45277 NC(=N)SCc1ccccn1
BDBM45278 O=C(NC(=S)Nc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1
BDBM45279 Oc1ccccc1C=NNC(=O)COc1nsnc1N1CCOCC1 |w:8.9|
BDBM44697 CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1CCSC1=O
BDBM44726 Cc1ccc(OCc2nc(C#N)c(NCC=C)o2)cc1
BDBM44739 CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1
BDBM45150 Clc1ccccc1-c1ccc(o1)C(=S)N1CCCCC1
BDBM45211 CCCC(=O)NC(=S)Nc1ccc(cc1)C(C)=O
BDBM45280 CNC(=S)Nc1ccc(C)cc1
BDBM45281 O=S(=O)(N1CCCC1)c1ccc(cc1)N=NC(C#N)C#N |w:14.15|
BDBM45282 CCN(CC)S(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:14.14|
BDBM44755 CCC(=O)N1CCN=C1SCc1ccc(F)cc1 |c:7|
BDBM44773 COc1cccc(c1)-c1csc(NC(=O)C2CC2)n1
BDBM44774 CC(Sc1nncn1C)C(=O)Nc1nnc(C)s1
BDBM45212 COc1ccc(CN2C(=O)C(=CNc3ccc(OC)cc3)c3ccccc3C2=O)cc1 |w:11.11|
BDBM45213 COc1ccc(cc1)N1C(NC(=O)C(C#N)C1=S)c1ccco1
BDBM45214 Cc1cccc(c1)-n1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
BDBM45215 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccc2F)cc1
BDBM45216 COc1cc(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1OCC=C
BDBM45283 N1c2ccccc2Sc2nccnc12
BDBM45284 C=CCSC1=NC(=O)\C(S1)=C\c1cccs1 |t:4|
BDBM45285 CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1
BDBM45286 Oc1cc(N2CCC(O)(CC2)c2ccc(Br)cc2)c(O)n1-c1ccc(Cl)cc1
BDBM44778 CCOC(=O)c1csc(NC(=O)c2ccccc2)n1
BDBM44801 CCSC(C)CC1CC(N=O)c2c(CC)noc2C1
BDBM44802 CCOC(=O)CSc1nc(N)nc(C)c1Br
BDBM45218 Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc12
BDBM45219 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1)c1cccs1 |w:2.2|
BDBM45220 Cc1ccc(cc1)C1=CC(C)(Nc2nc(nn12)C(F)(F)F)c1ccc(C)cc1 |t:8|
BDBM45221 O=C(NCCN1C(=O)S\C(=C\c2ccccc2)C1=O)C1CCCN1C(=O)c1cccs1
BDBM45222 COc1ccc(\C=C2\N=C(SC3CCOC3=O)N(C2=O)c2cccc(OC)c2)cc1 |t:8|
BDBM45223 CC1CCc2c(C1)sc1nc(CSc3nnc[nH]3)[nH]c(=O)c21
BDBM45248 Cc1nc(C)c(s1)C(=O)NNS(=O)(=O)c1ccccc1
BDBM44812 CCCC(=O)c1ccc(N2CCOCC2)c(F)c1
BDBM44813 Clc1ccc(cc1)C1CC(=O)CC(=O)C1
BDBM44828 COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
BDBM45217 [O-][N+](=O)c1cccc(NC(=O)c2[nH]ncc2Cl)c1
BDBM44829 O=C1c2ccccc2-c2nc3ccccc3n12
BDBM44830 C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
BDBM44834 Oc1cccc(c1)C1C(C#N)C(=N)SC(=N)C1C#N
BDBM45225 CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(cc2)-n2nc(C)cc2C)c1
BDBM45226 O=C(NN1C(=S)S\C(=C\c2cccnc2)C1=O)C(c1ccccc1)c1ccccc1
BDBM45227 O=C(NCc1ccccn1)c1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1
BDBM45228 COc1cc(C)ccc1N(CCCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)c1cccs1
BDBM45229 CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1OC)-c1ccc(F)cc1
BDBM45230 Cc1cccc(C)c1N=Cc1c(O)n(-c2nccs2)c(=O)c2ccccc12 |w:8.8|
BDBM44844 CCCCCOc1ccc(CSc2nnc[nH]2)cc1
BDBM44852 CCCCCCCC1CC(CSc2nnc[nH]2)OC1=O
BDBM44867 Fc1ccccc1NN=C(C#N)C(=N)N1CCCCC1 |w:8.8|
BDBM45232 Cc1cc(C)c(N=Cc2c(O)n(-c3nccs3)c(=O)c3ccccc23)c(C)c1 |w:6.5|
BDBM45233 COc1ccc(cc1)C1CC(=NN1C(=O)COC(=O)c1cccnc1Cl)c1ccccc1 |c:11|
BDBM45234 FC(F)(F)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc12
BDBM45235 COc1ccc(cc1CSc1nnc(Nc2ccccc2C)s1)C(C)=O
BDBM45236 Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1
BDBM45237 [O-][N+](=O)c1ccccc1\C=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
BDBM45238 Cc1cccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)c1
BDBM45239 COc1ccc(OC)c(c1)-c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
BDBM44868 CCCCOC(=O)Nc1ccc(cc1)C(C)C
BDBM44875 O=CC(=NNc1ccccc1)C(=O)c1ccncc1 |w:3.3|
BDBM44876 COc1ccccc1NC(=O)CSC(N)=O
BDBM44877 Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 |w:6.5|
BDBM44887 COc1cccc(C=Nn2c(O)csc2=S)c1O |w:8.8|
BDBM44917 Clc1cccc(Cl)c1CN1CCSc2sccc2C1=O
BDBM45205 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(NC(=S)NC)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM45224 OC(=O)c1ccc(cc1)N=NCc1ccc(F)c(F)c1 |w:9.9|
BDBM44924 CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N
BDBM44937 CCc1nnc(NC(=O)C2COc3ccccc3O2)s1
BDBM44976 Cc1cc(C)c(c(Sc2ccc(Cl)cc2)n1)S(C)(=O)=O
BDBM45241 O=C(Nc1nc(-c2cccs2)c(s1)-c1cccs1)C1(CC1)c1ccccc1
BDBM45242 CCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)c1cc(C)n(Cc2ccc3OCOc3c2)c1C
BDBM44989 OCCN=C1CCCc2c1[nH]c1ccc(Br)cc21 |w:3.2|
BDBM45001 O=C(Nc1nc(=O)n(s1)C(=O)C1CC1)c1ccccc1
BDBM45005 Fc1ccccc1NN=C(C#N)C(=N)N1CCOCC1 |w:8.8|
BDBM45244 C1CN(CCN1c1ccccc1)c1nc(nc2ccccc12)-c1cccs1
BDBM45245 CC1CCc2c(C1)scc2C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
BDBM45246 CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(C)s1)-c1ccccc1
BDBM45247 [O-][N+](=O)c1ncccc1OCC(=O)Nc1ccc2OC(F)(F)Oc2c1
BDBM45262 Clc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
BDBM45020 CCc1ccc(cc1)C(C)N=Nc1cc(Cl)nc(C)n1 |w:10.10|
BDBM45026 CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl
BDBM45027 CCOC(=S)NC(=O)c1sc2ccccc2c1Cl
BDBM45231 CC(NC(=O)c1ccc(C)cc1)c1ccc(F)cc1
BDBM44556 Cc1sc2nc(nc(N3CCN(CC3)S(=O)(=O)c3ccc(F)cc3)c2c1C)C1CC1
BDBM44557 COC1(OC)C(O)CCC(N=O)C1N=O
BDBM44558 CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1
BDBM44021 Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
BDBM44473 COc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccc(C)cc2)c2cccnc2)cc1 |t:7,25|
BDBM44555 Cc1nn(C)c(C)c1CNC(=O)c1nn2C(CC(Nc2c1Cl)c1ccc(C)cc1)C(F)(F)F
BDBM67690 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
BDBM81939 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
BDBM50001285 CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50005628 COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
BDBM50012278 CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
BDBM50013920 CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50014323 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
BDBM50022815 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
BDBM50033767 Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM50038412 [O-][n+]1onc(c1C#N)-c1ccccc1
BDBM50052019 CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50064888 COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
BDBM50084979 COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O
BDBM50103642 Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
BDBM50109782 COc1cc2CCN(CCn3c(nc4ccc(Cl)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109783 COc1cc2CCN(CCn3c(nc4c(OC)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109784 COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1
BDBM50109785 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3cccc(c3)N(C)C)Cc2cc1OC
BDBM50109786 CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
BDBM50109787 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC
BDBM50109788 COc1cc2CCN(CCn3c(nc4c(C)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109789 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(CC1)c1ncccn1
BDBM50109790 COc1cc2CCN(CCn3c(nc4cccc(Cl)c4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109791 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3O)Cc2cc1OC
BDBM50109792 CCCCCCn1c(nc2ccccc2c1=O)-c1ccc(cc1)N(C)C
BDBM50109793 COc1cc2CCN(CCn3c(nc4ccc(cc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109794 COc1ccc(CCN(C)CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)cc1OC
BDBM50109795 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3)Cc2cc1OC
BDBM50109796 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109797 COc1cc2CCN(CCn3c(nc4c(Cl)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109798 COc1cc2CCN(CCn3c(nc4ccc(N)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109799 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CC1CCCCC1
BDBM50109800 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)C(C)C)Cc2cc1OC
BDBM50109801 COc1cc2CCN(CCn3c(nc4cc(N)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109802 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4OCOc4c3)Cc2cc1OC
BDBM50109803 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1ccccc1
BDBM50109804 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1
BDBM50109805 COc1cc2CCN(CCn3c(nc4cc(Cl)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109806 COc1cc2CCN(CCn3c(nc4cc(ccc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
BDBM50109807 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCc1ccncc1
BDBM50109808 CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1
BDBM50109809 COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4ccccc4c3)Cc2cc1OC
BDBM50109810 CCN(CC)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
BDBM50109811 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
BDBM50111915 COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
BDBM50117928 COc1ccc(CCN(CCC[C@](C)(C#N)c2ccc(OC)c(OC)c2)C(C)C)cc1OC
BDBM50139772 CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|
BDBM50140798 CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140799 O=C(c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50140800 Ic1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
BDBM50140801 C(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(c3CCCCn3c12)-c1ncccn1
BDBM50140802 [O-][N+](=O)c1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
BDBM50140803 Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
BDBM50140804 Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2ccncc2)cc1F
BDBM50140805 CCC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50140806 NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140807 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCCc2ccccc2)CC1
BDBM50140808 Clc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
BDBM50140809 Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n3CCCCc3c(C#N)c2n1
BDBM50140810 Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1F
BDBM50140811 COc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
BDBM50140812 Cc1nc(no1)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50140813 O=C(CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12)c1ccccc1
BDBM50140814 Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2cccnc2)cc1F
BDBM50140815 CN(CCc1ccccc1)c1ncnc2c(C#N)c3CCCCn3c12
BDBM50140816 Cc1nc(sc1C)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50140817 [O-][N+](=O)c1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
BDBM50140818 N#Cc1c2CCCCn2c2c(nc(nc12)-c1ccccc1)N1CCN(CCc2ccccc2)CC1
BDBM50140819 COC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50140820 COc1cccc(CNC(=O)c2c3CCCCn3c3c(ncnc23)N2CCN(CCc3ccc(F)c(F)c3)CC2)c1OC
BDBM50140821 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1
BDBM50140822 COc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
BDBM50140823 CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
BDBM50140824 O=S(=O)(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
BDBM50140825 Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)NCc4ccccn4)c4CCCCn4c23)cc1F
BDBM50140826 N#Cc1c2CCCCn2c2c(NCCN3CCc4ccccc4C3)ncnc12
BDBM50140827 O=S(=O)(Cc1ccccc1)Nc1ncnc2c(C#N)c3CCCCn3c12
BDBM50140828 Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
BDBM50140829 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50140830 Clc1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
BDBM50140831 [O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
BDBM50140832 N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
BDBM50140833 Clc1ccc(CSc2ncnc3c(C#N)c4CCCCCn4c23)cc1
BDBM50140834 CCOC(=O)n1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140835 Cc1nc2n(C)c3c(ncnc3c2c(C(N)=O)c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140836 COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140837 COc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140838 Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(Cl)c32)cc1F
BDBM50140839 [O-][N+](=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140840 CN(C)c1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140841 Cn1c2cccnc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140842 NC(=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140843 CC(=O)Nc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140844 Cc1cc(C#N)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140845 [O-][N+](=O)c1cccc2n(CCc3ccccc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140846 NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140847 [O-][N+](=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140848 Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140849 Cn1c2nccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140850 Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140851 Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140852 [O-][N+](=O)c1cccc2n(Cc3cccnc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140853 CNc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140854 Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140855 Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140856 Cn1c2cccc([N+]([O-])=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140857 Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140858 COc1ccc2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3[nH]c2c1[N+]([O-])=O
BDBM50140859 Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140860 Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F
BDBM50140861 [O-][N+](=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140862 Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F
BDBM50140863 [O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140864 Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F
BDBM50140865 Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C(=O)Nc4ccncc4)c32)cc1F
BDBM50140866 COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140867 COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1
BDBM50140868 [O-][N+](=O)c1ccc2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140869 Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140870 CCOC(=O)Cn1c2ccc(cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12)[N+]([O-])=O
BDBM50140871 Nc1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140872 CC(C)Oc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140873 COc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140874 Cn1c2nccc(C#N)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140875 Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140876 Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140877 Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50140878 COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140879 NC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50140880 Cc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50143239 CCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
BDBM50156304 CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50158753 Cc1nc(=O)c(c(C)n1-c1ccc(O)c(c1)C(O)=O)-c1ccccc1
BDBM50158460 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
BDBM50173985 Cc1c(nc2n(C)c3c(ncnc3c2c1C(N)=O)N1CCN(CCc2ccc(F)c(F)c2)CC1)[N+]([O-])=O
BDBM50173986 Cc1cnc2n(C)c3c(ncnc3c2c1C(N)=O)N1CCN(CCc2ccc(F)c(F)c2)CC1
BDBM50173987 CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
BDBM50174852 COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
BDBM50174853 Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
BDBM50174854 Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
BDBM50174855 COc1cc(cc(OC)c1OC)C(=O)NC[C@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
BDBM50241084 COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM50244521 OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1
BDBM50244522 CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O
BDBM50294030 Cc1sc(NC(=S)N2CCOCC2)c(C(O)=O)c1C
BDBM50294031 CCN(CC)C(=S)Nc1sc(C(N)=O)c(C)c1C(O)=O
BDBM50294032 CCN(CC)C(=S)Nc1sc2CCCc2c1C(O)=O
BDBM50294033 CCN(CC)C(=S)Nc1sc2CCCCc2c1C(O)=O
BDBM50294034 CCN(CC)C(=S)Nc1sc2CCCC(C)c2c1C(O)=O
BDBM50294035 CCN(CC)C(=S)Nc1sc2CCCCCc2c1C(O)=O
BDBM50294037 CN(C1CCCCC1)C(=S)Nc1sc2ccccc2c1C(O)=O
BDBM50294038 CS(=O)(=O)N(c1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1)S(C)(=O)=O
BDBM50294036 CCN(CC)C(=S)Nc1sc2ccccc2c1C(O)=O
BDBM50294039 CCN(CC)C(=O)Nc1sc2CCCc2c1C(O)=O
BDBM50294040 CCN(CC)C(=O)Nc1sc2CCCCc2c1C(O)=O
BDBM50294041 CCN(CC)C(=O)Nc1ccsc1C(O)=O
BDBM50294042 CCN(CC)C(=S)Nc1sccc1C(O)=O
BDBM50294043 CN(C1CCCCC1)C(=S)Nc1sccc1C(O)=O
BDBM50294044 CCN(CC)C(=S)Nc1scc(C(C)C)c1C(O)=O
BDBM50294045 CCN(CC)C(=S)Nc1sc(cc1C(O)=O)-c1ccccc1
BDBM50294046 OC(=O)c1cc(sc1NC(=S)N1CCOCC1)-c1ccccc1
BDBM50294047 CCN(CC)C(=S)Nc1sc(C)c(C)c1C(O)=O
BDBM50294048 CN(C1CCCCC1)C(=S)Nc1sc(C)c(C)c1C(O)=O
BDBM50294049 CCN(CC)C(=O)Nc1ccccc1C(O)=O
BDBM50294050 CN(C1CCCCC1)C(=O)Nc1ccccc1C(O)=O
BDBM50294051 CN(Cc1ccccc1)C(=O)Nc1ccccc1C(O)=O
BDBM50294052 OC(=O)c1ccccc1NC(=O)N1CCCC1
BDBM50294053 CN(C1CCCCC1)C(=O)Nc1ccc(C)cc1C(O)=O
BDBM50294054 Cc1cc(NC(=O)N2CCOCC2)c(cc1C)C(O)=O
BDBM50294055 CCN(CC)C(=O)Nc1cc2ccccc2cc1C(O)=O
BDBM50294056 CCN(CC)C(=S)Nc1ccccc1C(O)=O
BDBM50294057 CN(C1CCCCC1)C(=S)Nc1ccccc1C(O)=O
BDBM50294058 CN(C(=S)Nc1ccccc1C(O)=O)c1ccccc1
BDBM50294059 CN(Cc1ccccc1)C(=S)Nc1ccccc1C(O)=O
BDBM50294060 CN(CCc1ccccc1)C(=S)Nc1ccccc1C(O)=O
BDBM50294061 OC(=O)c1ccccc1NC(=S)N1CCCC1
BDBM50294062 OC(=O)c1ccccc1NC(=S)N1CCNCC1
BDBM50295478 Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCOCCOCCOc2ccc(cc2)-c2cc(=O)c3cc(C)ccc3o2)cc1
BDBM50305082 COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
BDBM50305083 COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r|
BDBM50305080 COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50305081 COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
BDBM50306696 Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50300754 NC(=O)c1c(no[n+]1[O-])-c1ccccc1
BDBM50300758 Cc1c(no[n+]1[O-])-c1ccccc1
BDBM50324349 Nc1no[n+]([O-])c1-c1ccccc1
BDBM50324350 Nc1c(no[n+]1[O-])-c1ccccc1
BDBM50324351 COc1no[n+]([O-])c1-c1ccccc1
BDBM50324352 COc1c(no[n+]1[O-])-c1ccccc1
BDBM50324353 NC(=O)c1no[n+]([O-])c1-c1ccccc1
BDBM50324354 [O-]n1[o+]nc(c1-c1ccccc1)[N+]([O-])=O
BDBM50324355 [O-][n+]1onc(C#N)c1-c1ccccc1
BDBM50324356 NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
BDBM50324357 NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1
BDBM50324358 [O-][n+]1onc(c1-c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50324359 [O-][n+]1onc(c1S(=O)(=O)c1ccccc1)-c1ccccc1
BDBM50324360 Cc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324361 Cc1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
BDBM50324362 NC(=O)c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
BDBM50324363 CCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324364 CCCCCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324365 [O-]n1[o+]nc(c1[N+]([O-])=O)-c1ccccc1
BDBM50324366 NC(=O)c1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324367 [O-][n+]1onc(C#N)c1S(=O)(=O)c1ccccc1
BDBM50324368 [O-][n+]1onc(c1C#N)S(=O)(=O)c1ccccc1
BDBM50324369 [O-][n+]1onc(c1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50324370 CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324371 CCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324372 CC(C)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324373 CCC(C)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
BDBM50324374 [O-][n+]1onc(Oc2ccccc2)c1S(=O)(=O)c1ccccc1
BDBM50324375 CCCCOc1nonc1S(=O)(=O)c1ccccc1
BDBM50324376 CCCCCCOc1nonc1S(=O)(=O)c1ccccc1
BDBM50324377 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O
BDBM50324378 [O-][n+]1onc(c1-c1ccccc1)-c1ccccc1
BDBM50324379 Cc1no[n+]([O-])c1-c1ccccc1
BDBM50325537 NC(=N)SCc1ccccc1Cl
BDBM50325541 NC(=N)SCc1ccc(Cl)cc1Cl
BDBM50338974 COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
BDBM50338982 COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
BDBM50353279 COc1cc2CCN(CCCC3CCCc4c(OC)cccc34)Cc2cc1OC
BDBM50344959 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
BDBM50349860 CC1=NC(C)=C(C(C1C(=O)Nc1ccccc1)c1ccco1)C(=O)Nc1ccccc1 |c:4,t:1|
BDBM50349861 CC1=NC(C)=C(C(C1C(=O)Nc1ccccn1)c1ccc[nH]1)C(=O)Nc1ccccn1 |c:4,t:1|
BDBM50363073 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
BDBM50363074 COc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363075 COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
BDBM50363076 COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
BDBM50363077 COC1=CC(=CC(=O)C1=O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1 |c:4,t:2|
BDBM50363078 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(O)c(O)c2)cc1OC
BDBM50363079 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1
BDBM50363080 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1ccccc1
BDBM50363081 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1ccccc1
BDBM50363082 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccccc1
BDBM50363083 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363084 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
BDBM50363085 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
BDBM50363086 COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)[N+]([O-])=O
BDBM50363087 COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
BDBM50363088 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
BDBM50363089 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccnc1
BDBM50363090 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
BDBM50363091 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc2OCOc2c1
BDBM50363092 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
BDBM50363093 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1
BDBM50363094 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
BDBM50363095 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc[n+](C)c1
BDBM50363096 COc1ccc(cc1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363097 COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363098 COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
BDBM50363099 COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
BDBM50363100 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
BDBM50363101 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363102 CC(=O)c1cccc(c1)-c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(c1)[N+]([O-])=O
BDBM50363103 Oc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363104 Oc1cc(O)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363105 COc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
BDBM50363106 COc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)c(c1)[N+]([O-])=O
BDBM50363107 COc1cc(cc(O)c1O)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
BDBM50363108 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
BDBM50363109 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
BDBM50363110 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
BDBM50363111 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc(O)c(O)c1
BDBM50363112 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
BDBM50363113 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(O)c(O)c(OC)c1
BDBM50363114 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
BDBM50363115 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1ccccc1
BDBM50363116 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1N)-c1ccccc1
BDBM50363117 COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1F)-c1ccccc1
BDBM50374731 COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC
BDBM50379653 CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|
BDBM50368352 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|
BDBM50394045 COc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2)cc1OC
BDBM50404748 COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
BDBM50409816 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
BDBM50420218 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O |r|
BDBM50420219 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
BDBM50420220 C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
BDBM50420221 CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O
BDBM50420229 CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|
BDBM50420230 CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)OC2OC([C@H](O)C(O)C2O)C(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|
BDBM50429660 COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)C(N)=S)cc3)Cc2cc1OC
BDBM50429661 COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)Cc2cc1OC
BDBM50429662 COc1ccc(cc1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1
BDBM50429663 COc1ccc(cc1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50429664 COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4ccc(F)cc4)cc3)Cc2cc1OC
BDBM50429665 COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
BDBM50429666 COc1cccc(c1)-c1csc(n1)-c1ccc(Oc2ccc(CN3CCc4cc(OC)c(OC)cc4C3)cc2)nc1
BDBM50429667 COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4cccc(O)c4)cc3)Cc2cc1OC
BDBM50429189 COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)cs1
BDBM50429190 COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
BDBM50429191 COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(O)ccc4c3)Cc2cc1OC
BDBM50429192 COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(Br)ccc4c3)Cc2cc1OC
BDBM50429193 COc1ccc2cc(ccc2c1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1
BDBM50429194 COc1cc2CCN(Cc3ccc(o3)-c3ccc4ccccc4c3)Cc2cc1OC
BDBM50429195 COc1cc2CCN(Cc3ccc(cc3)-c3ccc(O)cc3)Cc2cc1OC
BDBM50429196 COc1cc2CCN(Cc3coc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
BDBM50429197 COc1cc2CCN(Cc3coc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
BDBM50429198 COc1ccc2cc(ccc2c1)-c1nc(CN2CCc3cc(OC)c(OC)cc3C2)co1
BDBM50429199 COc1cc2CCN(Cc3csc(n3)-c3ccc4cc(F)ccc4c3)Cc2cc1OC
BDBM50429200 COc1cc2CCN(Cc3csc(n3)-c3ccc4ccccc4c3)Cc2cc1OC
BDBM50436425 COc1cc2CCN(CCOc3ccc4ccccc4n3)Cc2cc1OC
BDBM50436426 COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc2ccccc2n1
BDBM50436427 COc1cc2CCN(CCCOc3ccnc4ccccc34)Cc2cc1OC
BDBM50436428 COc1cc2CCN(CCCCCOc3ccc4ccccc4n3)Cc2cc1OC
BDBM50436429 COc1cc2CCN(CCCCOc3ccc4ccccc4n3)Cc2cc1OC
BDBM50436430 COc1cc2CCN(CCCOc3ccc4ccccc4n3)Cc2cc1OC
BDBM50444006 COc1ccc(cc1OC)-c1nc(Nc2cccc(Br)c2)c2ccccc2n1
BDBM50444008 COc1ccc(Nc2nc(nc3ccccc23)-c2ccc(OC)c(OC)c2)cc1OC
BDBM50439838 COc1ccc(cc1)-c1oc2c3ccccc3ccc2c(=O)c1OC
BDBM50439841 COc1c(oc2c3ccccc3ccc2c1=O)-c1ccccc1
BDBM50439845 COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM50439848 COc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM50439851 COc1cc(ccc1F)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM50439852 COc1ccc(cc1OC)-c1oc2c3ccccc3ccc2c(=O)c1OC
BDBM50030659 CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030661 CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030672 COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030673 COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030675 COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030677 COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N
BDBM50030679 COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1
BDBM50030743 O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1
BDBM50056312 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(=O)[C@@H](C)NC(C)=O)-c1cc(F)cc(F)c1 |r|
BDBM50056309 COc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(F)c1
BDBM50030671 CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
BDBM50030734 COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1
BDBM50032261 COc1cccc(c1)-c1ccccc1CCN1CCc2cc(OC)c(OC)cc2C1
BDBM50056295 COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
BDBM50056296 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50056298 COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC
BDBM50056300 COc1cc(OC)c(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1
BDBM50056305 Fc1cc(ccc1NC(=O)c1ccccc1)-c1cccnc1
BDBM50056308 COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
BDBM50056311 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1
BDBM50032256 COc1ccc(cc1)-c1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50056292 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
BDBM50056293 COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
BDBM50056294 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
BDBM50056297 COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50056301 COc1ccc(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50056303 COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50056306 Fc1cc(ccc1NC(=O)c1cccnc1)-c1cccnc1
BDBM50056307 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
BDBM50056310 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50056313 COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
BDBM50056314 COc1cc(OC)c(cc1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
BDBM50056304 COc1ccc(cc1)C(=O)Nc1ccc(cc1F)-c1cccnc1
BDBM50139423 O=C(N1CCN(Cc2ccccc2)CC1)c1cc(=O)c2c(OCc3ccccc3)cccc2o1
BDBM50139445 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50139425 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1
BDBM50139436 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc3nonc3c2)CC1
BDBM50139439 COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50139443 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50139446 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CCc2ccccc2)CC1
BDBM50091087 COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50091112 COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50091138 COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM202559 COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1
BDBM202560 COc1cc(OC)c(cc1OC)C(=O)Nc1ccccc1
BDBM202561 COc1ccc(C(=O)Nc2ccccc2)c(OC)c1OC
BDBM202562 COc1cc(OC)c(C(=O)Nc2ccccc2)c(OC)c1
BDBM202563 COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(Br)cc1
BDBM202564 COc1ccc(C(=O)Nc2ccc(Br)cc2)c(OC)c1OC
BDBM202565 COc1cc(OC)c(C(=O)Nc2ccc(Br)cc2)c(OC)c1
BDBM202566 COc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
BDBM202567 COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC
BDBM202568 COc1ccccc1NC(=O)c1ccc(OC)c(OC)c1OC
BDBM202569 COc1cc(OC)c(C(=O)Nc2ccccc2OC)c(OC)c1
BDBM202570 COc1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)cc1OC
BDBM50091264 COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50091265 COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50139435 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50139437 COc1cc(OC)c2c(c1)oc(NCCc1ccc(OC)c(OC)c1)cc2=O
BDBM50139438 COc1cc(OC)c2c(c1)oc(NCCCN1CCOCC1)cc2=O
BDBM50139441 COc1cc(O)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1
BDBM50139442 COc1cc(O)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50139444 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(F)c(F)c2)CC1
BDBM50139447 COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
BDBM50139448 COc1cccc2oc(cc(=O)c12)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50139449 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccccc2)CC1
BDBM50139424 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
BDBM50139426 COC(=O)c1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
BDBM50139427 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)C#N)CC1
BDBM50139428 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1
BDBM50139429 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1
BDBM50139431 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1
BDBM50139432 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)S(=O)(=O)C(F)(F)F)CC1
BDBM50139433 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(N)cc2)CC1
BDBM50139434 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(NC(C)=O)cc2)CC1
BDBM50139430 COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
BDBM50139440 COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM50168146 N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168147 N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168148 N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168149 N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168151 N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168152 N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168153 N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168154 N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168155 CC(C)n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
BDBM50168159 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)c1ccccc1
BDBM50168160 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50168161 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168162 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168163 N#Cc1c2CCCCn2c2c(Nc3ccccc3)ncnc12
BDBM50168164 N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12
BDBM50168165 N#Cc1c2CCCCn2c2c(NCCCc3ccccc3)ncnc12
BDBM50168166 N#Cc1c2CCCCn2c2c(ncnc12)N1CCNCC1
BDBM50168209 CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
BDBM50168210 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccc1
BDBM50168213 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
BDBM50168150 N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
BDBM50168156 CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
BDBM50168157 CCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
BDBM50168158 Cn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
BDBM50168211 N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM50201796 [H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3 |r|